SCHEMBL10721583

SCHEMBL10721583

COC(=O)C1NC(=O)C1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ NFKB1 P19838 7/20 0.41
▸ NFKB2 Q00653 7/20 0.41
▸ RELA Q04206 7/20 0.41
▸ EPHX2 P34913 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ NAAA Q02083 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10721576 1.00 GAA (0.46) GAANFKB1NFKB2RELAEPHX2
SCHEMBL10802832 1.00 GAA (0.46) GAANFKB1NFKB2RELAEPHX2
SCHEMBL10832796 0.79 NAAA (0.49) GAANFKB1NFKB2RELAEPHX2
SCHEMBL10660414 0.79 NAAA (0.49) GAANFKB1NFKB2RELAEPHX2
SCHEMBL17049788 0.79 NAAA (0.49) GAANFKB1NFKB2RELAEPHX2
SCHEMBL10665432 0.79 NAAA (0.49) GAANFKB1NFKB2RELAEPHX2
SCHEMBL10683017 0.79 NAAA (0.49) GAANFKB1NFKB2RELAEPHX2
SCHEMBL10472944 0.79 NAAA (0.49) GAANFKB1NFKB2RELAEPHX2
SCHEMBL11392394 0.77 GAA (0.44) GAANFKB1NFKB2RELAEPHX2
SCHEMBL11392405 0.77 GAA (0.44) GAANFKB1NFKB2RELAEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221954-A1 CARBONATE SUBSTITUTED MONOBACTAMS AS ANTIBIOTICS THE UPJOHN COMPANY (US) 1987-05-20 — — EP disclosed
EP-0076758-B1 4-ETHER DERIVATIVES OF 2-AZETIDINONE-1-SULFONIC ACIDS E.R. Squibb & Sons, Inc. (US) 1987-01-07 — — EP disclosed
WO-1986006722-A1 CARBONATE SUBSTITUTED MONOBACTAMS AS ANTIBIOTICS THE UPJOHN COMPANY (US) 1986-11-20 — — WO disclosed
EP-0076758-A2 4-Ether derivatives of 2-azetidinone-1-sulfonic acids E.R. Squibb & Sons, Inc. (US) 1983-04-13 — — EP disclosed
US-4257947-A INTERMEDIATES FOR ANTIBACTERIAL CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1981-03-24 — — US disclosed
US-4200572-A Substituted azetidinones SMITHKLINE CORPORATION (US) 1980-04-29 — — US disclosed
US-4166816-A CYCLIZATION SMITHKLINE CORPORATION (US) 1979-09-04 — — US disclosed
US-4103086-A 8-Oxo-4-thia-1-azabicyclo (4.2.0)-oct-2-ene derivatives SMITHKLINE CORPORATION (US) 1978-07-25 — — US disclosed
US-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 — — US disclosed
US-4000154-A 3-Substituted-6β-(amino- and acylamino)-7-oxo-1,3-diazabicyclo[3.2.0]-h SMITHKLINE CORPORATION (US) 1976-12-28 — — US disclosed
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